[gmx-users] Fwd: problem with g_velacc

[Viswanadham Sridhara]

Just found my mistake, I am extracting velocities once in 100 frames I
gather the co-ordinates of the atoms in the simulation, and for calculating
mean square displacement, one needs the co-ordinates, while the g_velacc
function obviously needs velocities.
Please ignore my last email..........

---------- Forwarded message ----------
From: Viswanadham Sridhara <muta.mestri at gmail.com>
Date: Dec 29, 2005 5:39 AM
Subject: problem with g_velacc
To: Discussion list for GROMACS users <gmx-users at gromacs.org>

Hi everyone,
I am trying to find velocity autocorrelation function using g_velacc
function.
When i give g_velacc -f *.trr -s *.tpr -o 1.xvg, it is reading once every
100 frames, but when i try to calculate density using g_density then it is
reading every frame. I checked with g_msd and it works well too.........
The original file has 400 frames, and g_velacc is reading only  4 frames, I
think it should read half of the trajectory which should be 200 frames.
Please correct me if i am wrong.....Am I doing something wrong here?
Thanks,
Vissu.

--
Viswanadham Sridhara,
Graduate Research Assistant,
Old Dominion University, "VIRGINIA".


--
Viswanadham Sridhara,
Graduate Research Assistant,
Old Dominion University, "VIRGINIA".
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://maillist.sys.kth.se/pipermail/gromacs.org_gmx-users/attachments/20051229/9a6aac6a/attachment.html>